6-[2-(cyclopentylamino)-2-oxidanylidene-ethyl]-2-[(2-fluorophenyl)methylsulfanyl]pyrimidin-4-olate

Systemtic Name: 6-[2-(cyclopentylamino)-2-oxidanylidene-ethyl]-2-[(2-fluorophenyl)methylsulfanyl]pyrimidin-4-olate Openeye Name: 6-[2-(cyclopentylamino)-2-oxo-ethyl]-2-[(2-fluorophenyl)methylsulfanyl]pyrimidin-4-olate CAS Name: 6-[2-(cyclopentylamino)-2-oxoethyl]-2-[(2-fluorophenyl)methylthio]-4-pyrimidinolate IUPAC Name: 6-[2-(cyclopentylamino)-2-oxoethyl]-2-[(2-fluorophenyl)methylsulfanyl]pyrimidin-4-olate Traditional Name: 6-[2-(cyclopentylamino)-2-keto-ethyl]-2-[(2-fluorobenzyl)thio]pyrimidin-4-olate Formula: C18H19FN3O2S- MolecularWeight: 360.425763

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)NC(=O)CC2=CC(=NC(=N2)SCC3=CC=CC=C3F)[O-]

Isomeric SMILES

C1CCC(C1)NC(=O)CC2=CC(=NC(=N2)SCC3=CC=CC=C3F)[O-]

InChI

InChI=1S/C18H20FN3O2S/c19-15-8-4-1-5-12(15)11-25-18-21-14(10-17(24)22-18)9-16(23)20-13-6-2-3-7-13/h1,4-5,8,10,13H,2-3,6-7,9,11H2,(H,20,23)(H,21,22,24)/p-1